SCHEMBL9460281

SCHEMBL9460281

Clc1ccc(CNC2C=CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KMT2A Q03164 3/20 0.44
ACHE P22303 3/20 0.44
BCHE P06276 2/20 0.44
BACE1 P56817 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9460505 0.95 POLB (0.61) POLBKMT2AACHEBCHEBACE1
SCHEMBL9460270 0.90 POLB (0.57) POLBKMT2AACHEBCHEBACE1
SCHEMBL9460128 0.84 HRH3 (0.41) POLBKMT2AACHEBCHEBACE1
SCHEMBL8925852 0.84 ACHE (0.43) POLBACHEBCHEBACE1RAB9A
SCHEMBL8926256 0.83 GRIN2B (0.49) KMT2AACHEBCHEBACE1MEN1
SCHEMBL31083251 0.75 POLB (0.89) POLBKMT2AACHEBCHEBACE1
SCHEMBL11112228 0.75 POLB (0.96) POLBKMT2AACHEBCHEBACE1
SCHEMBL3236686 0.75 POLB (0.81) POLBKMT2AACHEBCHEBACE1
SCHEMBL5863714 0.74 POLB (0.93) POLBKMT2AACHEBCHEBACE1
SCHEMBL11615671 0.74 POLB (0.93) POLBKMT2AACHEBCHEBACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5237100-A Fungicide intermediates NIHON BAYER AGROCHEM K.K. (JP) 1993-08-17 US claimed
US-5237100-A Fungicide intermediates NIHON BAYER AGROCHEM K.K. (JP) 1993-08-17 US disclosed
US-4857556-A FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-08-15 US disclosed
EP-0113028-B1 SUBSTITUED BENZYLCYCLOALKENYL UREA DERIVATIVES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-30 EP disclosed
EP-0113028-A1 Substitued benzylcycloalkenyl urea derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-07-11 EP disclosed